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Thermal motions in the 2D Lennard-Jones liquid near solidification are studied at equilibrium and under shear flow conditions. At the temperatures of the study, the liquid is significantly aggregated. On times of few to few tens of…

Mesoscale and Nanoscale Physics · Physics 2017-03-03 Alexander Z. Patashinski , Rafal Orlik , Mark A. Ratner

We investigate the influence of a shear flow on the process of nucleation. Mesoscopic nonequilibrium thermodynamics is used to derive the Fokker-Planck equation governing the evolution of the cluster size distribution in a metastable phase…

Statistical Mechanics · Physics 2009-11-10 D. Reguera , J. M. Rubi

Theory and computations have established that thermodynamic gradients created by hot spots in reactive gas mixtures can lead to spontaneous detonation initiation. However, the current laminar theory of the temperature-gradient mechanism for…

Fluid Dynamics · Physics 2019-11-26 Colin A. Z. Towery , Alexei Y. Poludnenko , Peter E. Hamlington

We compute rates and pathways for nucleation in a sheared two dimensional Ising model with Metropolis spin flip dynamics, using Forward Flux Sampling (FFS). We find a peak in the nucleation rate at intermediate shear rate. We analyse the…

Soft Condensed Matter · Physics 2009-11-13 Rosalind J. Allen , Chantal Valeriani , Sorin Tanase-Nicola , Pieter Rein ten Wolde , Daan Frenkel

Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…

Statistical Mechanics · Physics 2008-08-20 James F. Lutsko

Homogeneous nucleation, a textbook transition path for phase transitions, is typically understood on thermodynamic grounds through the prism of classical nucleation theory. However, recent studies have suggested the applicability of…

Soft Condensed Matter · Physics 2025-12-08 Luke Langford , Ahmad K. Omar

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous…

Materials Science · Physics 2019-05-02 Avik Mahata , Mohsen Asle Zaeem , Michael I. Baskes

This paper looks into various aspects brought to light by numerical work on the generalized interacting winds model for planetary nebulae. First, a detailed comparison between radiative and non-radiative models is made, showing that one's…

Astrophysics · Physics 2007-05-23 Garrelt Mellema , Adam Frank

This is the first paper in a series where we study collisions of nucleated bubbles taking into account the effects of small initial (quantum) fluctuations in a fully 3+1-dimensional setting. In this paper, we consider the evolution of…

High Energy Physics - Theory · Physics 2017-11-09 Jonathan Braden , J. Richard Bond , Laura Mersini-Houghton

Heterogeneous nucleation is a process wherein extrinsic impurities facilitate freezing by lowering nucleation barriers and constitutes the dominant mechanism for crystallization in most systems. Classical nucleation theory (\textsc{Cnt})…

Soft Condensed Matter · Physics 2026-05-12 Fernanda Sulantay Vargas , Sarwar Hussain , Amir Haji-Akbari

We carry out high resolution two-dimensional radiation-hydrodynamic numerical simulations to study the formation and evolution of hot bubbles inside planetary nebulae (PNe). We take into account the evolution of the stellar parameters, wind…

Solar and Stellar Astrophysics · Physics 2015-06-22 J. A. Toalá , S. J. Arthur

The charged particles produced in nucleus-nucleus collisions come from leading particles and those frozen out from the hot and dense matter created in collisions. The leading particles are conventionally supposed having Gaussian rapidity…

Nuclear Theory · Physics 2016-05-31 Zhjin Jiang , Jie Wang , Yan Huang

We study the behavior of the energy fluctuations in the stationary state of a uniformly heated granular gas. The equation for the one-time two-particle correlation function is derived and the hydrodynamic eigenvalues are identified.…

Statistical Mechanics · Physics 2009-09-29 M. I. Garcia de Soria , P. Maynar , E. Trizac

The search for local structures within a disordered medium has led to proposals of several methods for probing transient short-range symmetry in a homogeneous mono-atomic liquid. We offer a comparison of different characterizations of such…

Soft Condensed Matter · Physics 2020-05-04 Linsey Nowack , Stuart A. Rice

A Lennard--Jones model of a binary dense liquid (A,B) with a symmetrical miscibility gap is investigated by means of computer simulation methods. Semigrand--canonical Monte Carlo simulations yield the phase diagram in the $T$--$x$ plane…

Statistical Mechanics · Physics 2007-05-23 Subir K. Das , Jürgen Horbach , Kurt Binder

Flat walls facilitate the condensation of a supersaturated vapor: Classical theory of heterogeneous nucleation predicts that the free energy barrier $\Delta F_{\rm het}^*$ which needs to be overcome for the formation of sphere-cap shaped…

Statistical Mechanics · Physics 2010-01-20 David Winter , Peter Virnau , Kurt Binder

Chemical reactions in small droplets are extensively explored to accelerate the discovery of new materials, increase efficiency and specificity in catalytic biphasic conversion and in high throughput analytics. In this work, we investigate…

Chemical Physics · Physics 2022-03-10 Zhengxin Li , Hongbo Zeng , Xuehua Zhang

We have performed molecular dynamic simulations of a Martensitic bcc->hcp transformation in a homogeneous system. The system evolves into three Martensitic variants, sharing a common nearest neighbor vector along a bcc <111> direction, plus…

Materials Science · Physics 2009-11-07 J. R. Morris , K. M. Ho

We study the fluctuation dynamics of localized denaturation bubbles in heteropolymer DNA with a master equation and complementary stochastic simulation based on novel DNA stability data. A significant dependence of opening probability and…

Biomolecules · Quantitative Biology 2009-11-13 Tobias Ambjornsson , Suman K. Banik , Oleg Krichevsky , Ralf Metzler

The classical nucleation theory of Becker, D\"{o}ring and Zeldovich is compared with the Langer coarse-grained field approach to the nucleation phenomenon. Both formalisms have been applied to the condensation from a supersaturated vapor.…

Disordered Systems and Neural Networks · Physics 2009-10-31 Larissa V. Bravina , Eugene E. Zabrodin
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